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Compile Data Set for Download or QSAR

Found 148 hits with Last Name = 'aschenbrenner' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318983
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3
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0.100n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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0.100n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318989
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318986
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318988
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
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0.200n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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0.300n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318985
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
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0.5n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34143
PNG
(CHEMBL175835 | E-6837)
Show SMILES CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
Show InChI InChI=1S/C22H22ClN3O2S/c1-26(2)11-10-16-14-24-22-9-6-17(13-20(16)22)25-29(27,28)18-7-8-19-15(12-18)4-3-5-21(19)23/h3-9,12-14,24-25H,10-11H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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1n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318980
PNG
(1-(2-allylphenoxy)-3-(1-methylpiperidin-4-ylamino)...)
Show SMILES CN1CCC(CC1)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C18H28N2O2/c1-3-6-15-7-4-5-8-18(15)22-14-17(21)13-19-16-9-11-20(2)12-10-16/h3-5,7-8,16-17,19,21H,1,6,9-14H2,2H3
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2.40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318999
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2
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3n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318986
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...)
Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3
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3.40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318999
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O4/c37-23(20-40-29-13-5-12-28-31(29)24-8-1-2-11-27(24)34-28)19-35-16-14-21(15-17-35)18-36-32(38)25-9-3-6-22-7-4-10-26(30(22)25)33(36)39/h1-13,21,23,34,37H,14-20H2
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7n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318978
PNG
(1-(2-allylphenoxy)-3-morpholinopropan-2-ol | CHEMB...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCOCC1
Show InChI InChI=1S/C16H23NO3/c1-2-5-14-6-3-4-7-16(14)20-13-15(18)12-17-8-10-19-11-9-17/h2-4,6-7,15,18H,1,5,8-13H2
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7n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318983
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3
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8n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223292
PNG
(CHEMBL249034 | N-(4-chlorobenzyl)-2-nitro-5-(piper...)
Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccc(Cl)cc1)N1CCNCC1
Show InChI InChI=1S/C17H19ClN4O2/c18-14-3-1-13(2-4-14)12-20-16-11-15(5-6-17(16)22(23)24)21-9-7-19-8-10-21/h1-6,11,19-20H,7-10,12H2
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8n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318977
PNG
(1-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C23H34N2O4/c1-17(2)20-6-3-4-7-21(20)29-16-19(26)15-24-12-10-18(11-13-24)14-25-22(27)8-5-9-23(25)28/h3-4,6-7,17-19,26H,5,8-16H2,1-2H3
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9n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223281
PNG
(5-(4-methylpiperazin-1-yl)-2-nitro-N-(1-phenylethy...)
Show SMILES CC(Nc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1)c1ccccc1 |w:1.0|
Show InChI InChI=1S/C19H24N4O2/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)22-12-10-21(2)11-13-22/h3-9,14-15,20H,10-13H2,1-2H3
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12n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318989
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
Show InChI InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
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13n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319004
PNG
(2-(1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piper...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C29H32N2O4/c1-19(2)23-9-3-4-12-26(23)35-18-22(32)17-30-15-13-21(14-16-30)31-28(33)24-10-5-7-20-8-6-11-25(27(20)24)29(31)34/h3-12,19,21-22,32H,13-18H2,1-2H3
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13n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318985
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-benzylpiperidin-1-yl)...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C27H30N2O2/c30-22(18-29-15-13-21(14-16-29)17-20-7-2-1-3-8-20)19-31-26-12-6-11-25-27(26)23-9-4-5-10-24(23)28-25/h1-12,21-22,28,30H,13-19H2
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14n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318988
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H28N2O3/c30-21(17-29-15-13-20(14-16-29)27(31)19-7-2-1-3-8-19)18-32-25-12-6-11-24-26(25)22-9-4-5-10-23(22)28-24/h1-12,20-21,28,30H,13-18H2
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16n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318975
PNG
(2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H32N2O4/c1-18(2)21-7-5-6-10-24(21)32-17-20(29)16-27-13-11-19(12-14-27)15-28-25(30)22-8-3-4-9-23(22)26(28)31/h3-10,18-20,29H,11-17H2,1-2H3
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17n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318981
PNG
(1-(2-isopropylphenoxy)-3-(1-methylpiperidin-4-ylam...)
Show SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1
Show InChI InChI=1S/C18H30N2O2/c1-14(2)17-6-4-5-7-18(17)22-13-16(21)12-19-15-8-10-20(3)11-9-15/h4-7,14-16,19,21H,8-13H2,1-3H3
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17n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223306
PNG
(CHEMBL248658 | N-(2-(2-methoxyphenoxy)ethyl)-5-(4-...)
Show SMILES COc1ccccc1OCCNc1cc(ccc1[N+]([O-])=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H26N4O4/c1-22-10-12-23(13-11-22)16-7-8-18(24(25)26)17(15-16)21-9-14-28-20-6-4-3-5-19(20)27-2/h3-8,15,21H,9-14H2,1-2H3
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19n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223288
PNG
(CHEMBL399962 | N-(furan-2-ylmethyl)-2-nitro-5-(pip...)
Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccco1)N1CCNCC1
Show InChI InChI=1S/C15H18N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h1-4,9-10,16-17H,5-8,11H2
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25n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223309
PNG
(5-(4-methylpiperazin-1-yl)-2-nitro-N-(2-(o-tolylox...)
Show SMILES CN1CCN(CC1)c1ccc(c(NCCOc2ccccc2C)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H26N4O3/c1-16-5-3-4-6-20(16)27-14-9-21-18-15-17(7-8-19(18)24(25)26)23-12-10-22(2)11-13-23/h3-8,15,21H,9-14H2,1-2H3
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26n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318998
PNG
(2-((1-(3-(1H-indol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]ccc12)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C29H29N3O4/c33-21(18-36-26-9-3-8-25-22(26)10-13-30-25)17-31-14-11-19(12-15-31)16-32-28(34)23-6-1-4-20-5-2-7-24(27(20)23)29(32)35/h1-10,13,19,21,30,33H,11-12,14-18H2
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27n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223303
PNG
(1-methyl-4-(4-nitro-3-phenoxyphenyl)piperazine | C...)
Show SMILES CN1CCN(CC1)c1ccc(c(Oc2ccccc2)c1)[N+]([O-])=O
Show InChI InChI=1S/C17H19N3O3/c1-18-9-11-19(12-10-18)14-7-8-16(20(21)22)17(13-14)23-15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3
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27n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223294
PNG
(CHEMBL401294 | N-benzyl-2-nitro-5-(piperazin-1-yl)...)
Show SMILES [O-][N+](=O)c1ccc(cc1NCc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C17H20N4O2/c22-21(23)17-7-6-15(20-10-8-18-9-11-20)12-16(17)19-13-14-4-2-1-3-5-14/h1-7,12,18-19H,8-11,13H2
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28n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318990
PNG
((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)piperi...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN2O3/c28-20-10-8-18(9-11-20)27(32)19-12-14-30(15-13-19)16-21(31)17-33-25-7-3-6-24-26(25)22-4-1-2-5-23(22)29-24/h1-11,19,21,29,31H,12-17H2
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32n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223304
PNG
(2-nitro-N-phenethyl-5-(piperazin-1-yl)benzenamine ...)
Show SMILES [O-][N+](=O)c1ccc(cc1NCCc1ccccc1)N1CCNCC1
Show InChI InChI=1S/C18H22N4O2/c23-22(24)18-7-6-16(21-12-10-19-11-13-21)14-17(18)20-9-8-15-4-2-1-3-5-15/h1-7,14,19-20H,8-13H2
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33n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318982
PNG
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(C2=O)c34)CC1
Show InChI InChI=1S/C33H31N3O5/c37-22-15-21-5-3-7-25-30(21)26(16-22)33(40)36(32(25)39)17-20-11-13-35(14-12-20)18-23(38)19-41-29-10-4-9-28-31(29)24-6-1-2-8-27(24)34-28/h1-10,15-16,20,23,34,37-38H,11-14,17-19H2
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37n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318973
PNG
(2-((1-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pipe...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4C(C)C)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C31H36N2O5/c1-20(2)25-8-4-5-10-28(25)38-19-23(34)18-32-13-11-21(12-14-32)17-33-30(35)26-9-6-7-22-15-24(37-3)16-27(29(22)26)31(33)36/h4-10,15-16,20-21,23,34H,11-14,17-19H2,1-3H3
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38n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319003
PNG
(2-(1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidin...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C29H30N2O4/c1-2-7-20-8-3-4-13-26(20)35-19-23(32)18-30-16-14-22(15-17-30)31-28(33)24-11-5-9-21-10-6-12-25(27(21)24)29(31)34/h2-6,8-13,22-23,32H,1,7,14-19H2
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40n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223277
PNG
(2-(benzylamino)-4-(4-methylpiperazin-1-yl)benzonit...)
Show SMILES CN1CCN(CC1)c1ccc(C#N)c(NCc2ccccc2)c1
Show InChI InChI=1S/C19H22N4/c1-22-9-11-23(12-10-22)18-8-7-17(14-20)19(13-18)21-15-16-5-3-2-4-6-16/h2-8,13,21H,9-12,15H2,1H3
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47n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318974
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C26H30N2O4/c1-2-7-20-8-3-6-11-24(20)32-18-21(29)17-27-14-12-19(13-15-27)16-28-25(30)22-9-4-5-10-23(22)26(28)31/h2-6,8-11,19,21,29H,1,7,12-18H2
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50n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318984
PNG
(2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2
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57n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223293
PNG
(CHEMBL399478 | N-(4-chlorobenzyl)-5-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccc(Cl)cc2)c1)[N+]([O-])=O
Show InChI InChI=1S/C18H21ClN4O2/c1-21-8-10-22(11-9-21)16-6-7-18(23(24)25)17(12-16)20-13-14-2-4-15(19)5-3-14/h2-7,12,20H,8-11,13H2,1H3
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59n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223305
PNG
(CHEMBL251005 | N-(furan-2-ylmethyl)-5-(4-methylpip...)
Show SMILES CN1CCN(CC1)c1ccc(c(NCc2ccco2)c1)[N+]([O-])=O
Show InChI InChI=1S/C16H20N4O3/c1-18-6-8-19(9-7-18)13-4-5-16(20(21)22)15(11-13)17-12-14-3-2-10-23-14/h2-5,10-11,17H,6-9,12H2,1H3
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61n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50319002
PNG
(2-(2-(4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)pi...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C30H35N3O4/c1-21(2)24-9-3-4-12-27(24)37-20-23(34)19-32-15-13-31(14-16-32)17-18-33-29(35)25-10-5-7-22-8-6-11-26(28(22)25)30(33)36/h3-12,21,23,34H,13-20H2,1-2H3
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70n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318987
PNG
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1
Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2
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72n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318984
PNG
(2-(1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pipe...)
Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(CC1)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C32H29N3O4/c36-22(19-39-28-13-5-12-27-30(28)23-8-1-2-11-26(23)33-27)18-34-16-14-21(15-17-34)35-31(37)24-9-3-6-20-7-4-10-25(29(20)24)32(35)38/h1-13,21-22,33,36H,14-19H2
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76n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318972
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4ccccc4CC=C)CC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C31H34N2O5/c1-3-7-22-8-4-5-11-28(22)38-20-24(34)19-32-14-12-21(13-15-32)18-33-30(35)26-10-6-9-23-16-25(37-2)17-27(29(23)26)31(33)36/h3-6,8-11,16-17,21,24,34H,1,7,12-15,18-20H2,2H3
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78n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50318992
PNG
(2-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C30H32N2O4/c1-2-7-22-8-3-4-13-27(22)36-20-24(33)19-31-16-14-21(15-17-31)18-32-29(34)25-11-5-9-23-10-6-12-26(28(23)25)30(32)35/h2-6,8-13,21,24,33H,1,7,14-20H2
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318976
PNG
(1-((1-(3-(2-allylphenoxy)-2-hydroxypropyl)piperidi...)
Show SMILES OC(COc1ccccc1CC=C)CN1CCC(CN2C(=O)CCCC2=O)CC1
Show InChI InChI=1S/C23H32N2O4/c1-2-6-19-7-3-4-8-21(19)29-17-20(26)16-24-13-11-18(12-14-24)15-25-22(27)9-5-10-23(25)28/h2-4,7-8,18,20,26H,1,5-6,9-17H2
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50223290
PNG
(CHEMBL398337 | N-(2-(4-tert-butylphenoxy)ethyl)-5-...)
Show SMILES CN1CCN(CC1)c1ccc(c(NCCOc2ccc(cc2)C(C)(C)C)c1)[N+]([O-])=O
Show InChI InChI=1S/C23H32N4O3/c1-23(2,3)18-5-8-20(9-6-18)30-16-11-24-21-17-19(7-10-22(21)27(28)29)26-14-12-25(4)13-15-26/h5-10,17,24H,11-16H2,1-4H3
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 17: 6224-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.016
BindingDB Entry DOI: 10.7270/Q2D79B43
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318991
PNG
(2-((1-(2-hydroxy-3-(2-isopropyl-5-methylphenoxy)pr...)
Show SMILES CC(C)c1ccc(C)cc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
Show InChI InChI=1S/C31H36N2O4/c1-20(2)25-11-10-21(3)16-28(25)37-19-24(34)18-32-14-12-22(13-15-32)17-33-30(35)26-8-4-6-23-7-5-9-27(29(23)26)31(33)36/h4-11,16,20,22,24,34H,12-15,17-19H2,1-3H3
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80n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
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